Geometry & MOs

Info

ID:	156395
PubChem CID:	56370425
Reduced:	N2O4C27H30 (1)
Stoich.:	A2B4C27D30 (1)
Weight, g/mol:	478.261377
ΔH_f, kcal/mol:	-115.48
Dipole, Da:	5.66
IP(EA), eV:	-8.03(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butylsulfonyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)C3=CC=C(NC3=O)C4=CC=CC=C4)OC

DOS

IR

Vibrations